Chem
J-GLOBAL ID：200907010206042970   Nikkaji number：J462.786E

20-Ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-8,13,14α,15-tetrol 8-palmitate 14-benzoate

20-エチル-1α,6α,16β-トリメトキシ-4-(メトキシメチル)アコニタン-8,13,14α,15-テトラオール8-パルミタート14-ベンゾアート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C48H75NO10
Molecular formula furigana： C48-H75-N-O10
Molecular weight： 826.125
InChI： InChI=1S/C48H75NO10/c1-7-9-10-11-12-13-14-15-16-17-18-19-23-26-35(50)59-48-36-33(29-46(53,43(57-6)41(48)51)42(36)58-44(52)32-24-21-20-22-25-32)47-34(55-4)27-28-45(31-54-3)30-49(8-2)40(47)37(48)38(56-5)39(45)47/h20-22,24-25,33-34,36-43,51,53H,7-19,23,26-31H2,1-6H3/t33-,34+,36-,37+,38+,39-,40-,41?,42-,43+,45+,46?,47+,48-/m1/s1
InChI key： ULFVMYXFBGVZAN-CSPIQQCDSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)O[C@@]12[C@@H]3[C@@H](C[C@](O)([C@@H]3OC(=O)c3ccccc3)[C@@H](OC)C1O)[C@@]13[C@H]4[C@@H]2[C@H](OC)[C@@H]1[C@@](COC)(CC[C@@H]3OC)CN4CC
Systematic name  (3)：
  • 20-エチル-1α,6α,16β-トリメトキシ-4-(メトキシメチル)アコニタン-8,13,14α,15-テトラオール8-パルミタート14-ベンゾアート
  • (1S,2R,3R,4R,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-エチル-8-(ヘキサデカノイルオキシ)-5,7-ジヒドロキシ-6,16,18-トリメトキシ-13-(メトキシメチル)-11-アザヘキサシクロ[7.7.2.12,5.01,10.03,8.013,17]ノナデカン-4-イル ベンゾアート
  • (1S,2R,3R,4R,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8-(hexadecanoyloxy)-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl benzoate
Other name (1)：
  • 20-Ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-8,13,14α,15-tetrol 8-palmitate 14-benzoate
Thsaurus map：
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